N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-1-phenylpyrazole-3-carboxamide

C22H23N5O2 — CID 60560463

IUPACN-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-1-phenylpyrazole-3-carboxamide
SMILESNC(=O)C1CCCN1Cc1cccc(NC(=O)c2ccn(-c3ccccc3)n2)c1
InChIInChI=1S/C22H23N5O2/c23-21(28)20-10-5-12-26(20)15-16-6-4-7-17(14-16)24-22(29)19-11-13-27(25-19)18-8-2-1-3-9-18/h1-4,6-9,11,13-14,20H,5,10,12,15H2,(H2,23,28)(H,24,29)
InChIKeyAARROCJKRAOENG-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.57
Rot. Bonds6

About N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-1-phenylpyrazole-3-carboxamide

N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-1-phenylpyrazole-3-carboxamide (PubChem CID 60560463) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-1-phenylpyrazole-3-carboxamide
PubChem CID60560463
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC NameN-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-1-phenylpyrazole-3-carboxamide
SMILESNC(=O)C1CCCN1Cc1cccc(NC(=O)c2ccn(-c3ccccc3)n2)c1
InChIInChI=1S/C22H23N5O2/c23-21(28)20-10-5-12-26(20)15-16-6-4-7-17(14-16)24-22(29)19-11-13-27(25-19)18-8-2-1-3-9-18/h1-4,6-9,11,13-14,20H,5,10,12,15H2,(H2,23,28)(H,24,29)
InChIKeyAARROCJKRAOENG-UHFFFAOYSA-N
XLogP2.57
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[3-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 60560167
N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-3-phenyl-1,2-oxazole-5-carboxamide
CID 60560386
(2S)-1-[[3-[(3,5-dimethylbenzoyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 52507478
1-[[3-[(1-phenylcyclobutanecarbonyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 60560169
1-[[3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 47068938
(2R)-1-benzylpyrrolidine-2-carboxamide;hydrochloride
CID 141477985
1-[[3-[[4-(difluoromethylsulfanyl)benzoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 60560118
(2S)-1-[[3-[(5-ethylfuran-2-carbonyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 52730298
(2S)-1-[[3-[(2-chlorobenzoyl)amino]phenyl]methyl]pyrrolidine-2-carboxylic acid
CID 122038743
1-[[3-[(4-phenyloxane-4-carbonyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 60560462
(2S)-1-[[3-[[(2R)-2-phenoxypropanoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 124828194
1-[[3-[[3-(thiophene-2-carbonylamino)benzoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 55984987

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-1-phenylpyrazole-3-carboxamide?
The IUPAC name of N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-1-phenylpyrazole-3-carboxamide (CID 60560463) is N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-1-phenylpyrazole-3-carboxamide is NC(=O)C1CCCN1Cc1cccc(NC(=O)c2ccn(-c3ccccc3)n2)c1.
What is the InChIKey of N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-1-phenylpyrazole-3-carboxamide?
The InChIKey is AARROCJKRAOENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c23-21(28)20-10-5-12-26(20)15-16-6-4-7-17(14-16)24-22(29)19-11-13-27(25-19)18-8-2-1-3-9-18/h1-4,6-9,11,13-14,20H,5,10,12,15H2,(H2,23,28)(H,24,29).
What are the key properties of N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-1-phenylpyrazole-3-carboxamide?
N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-1-phenylpyrazole-3-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 60560463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).